SCHEMBL4397436

SCHEMBL4397436

CCCc1c(C)ccn(CCC)c1=S

nearest known ligand 0.36

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
NOS2 P35228 1/20 0.36
CNR2 P34972 1/20 0.34

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4395073 0.77 ALDH1A1 (0.34)
SCHEMBL27757795 0.72 TYR (0.34) CNR2
SCHEMBL4391340 0.72 KDM4E (0.39) NOS2CNR2
SCHEMBL4396078 0.68 KDM4E (0.42) CNR2
SCHEMBL217912 0.67 CNR2 (0.44) CNR2
Dimethylamine SCHEMBL218292 0.64 CNR2 (0.42) CNR2
SCHEMBL23691650 0.63 ALDH1A1 (0.43) CNR2
SCHEMBL28802534 0.63 ALDH1A1 (0.37) CNR2
SCHEMBL9723505 0.62 LPO (0.41)
SCHEMBL15050026 0.62 NOS2 (0.48) NOS2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090304620-A1 HAIR TREATMENT PRODUCTS COMPRISING POLYMERS HENKEL AG & CO. KGAA (DE) 2009-12-10 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20090304620-A1 HAIR TREATMENT PRODUCTS COMPRISING POLYMERS ASS1, SRM, COL1A1 NOS2 112/4885CNR2 2839/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.